BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 290 hits with Last Name = 'kai' and Initial = 'l'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50072394
PNG
(1-[3-(1H-4-imidazolyl)-2-(5-oxotetrahydro-1H-2-pyr...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r|
Show InChI InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 42n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain

J Med Chem 47: 6025-33 (2004)


Article DOI: 10.1021/jm020531t
BindingDB Entry DOI: 10.7270/Q2W095F0
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(RAT)		BDBM50099301
PNG
(CHEMBL384262 | Desaminotyrosyl-Phe-Leu-Phe-Gln-Pro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C54H75N13O11/c1-32(2)29-40(65-50(75)41(30-34-11-5-3-6-12-34)61-46(71)26-19-33-17-20-36(68)21-18-33)49(74)66-42(31-35-13-7-4-8-14-35)51(76)64-39(23-25-45(56)70)53(78)67-28-10-16-43(67)52(77)63-38(22-24-44(55)69)48(73)62-37(47(57)72)15-9-27-60-54(58)59/h3-8,11-14,17-18,20-21,32,37-43,68H,9-10,15-16,19,22-31H2,1-2H3,(H2,55,69)(H2,56,70)(H2,57,72)(H,61,71)(H,62,73)(H,63,77)(H,64,76)(H,65,75)(H,66,74)(H4,58,59,60)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 840n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards NPFF receptor was measured by the displacement of [125I]-YLFQPQRF-NH2

J Med Chem 44: 1623-6 (2001)


BindingDB Entry DOI: 10.7270/Q23T9GHR
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(RAT)		BDBM50099302
PNG
(2-{2-[2-(5-Dimethylamino-naphthalene-1-sulfonylami...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCC(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C23H34N8O6S/c1-31(2)18-9-3-7-15-14(18)6-4-10-19(15)38(36,37)28-12-20(33)29-17(13-32)22(35)30-16(21(24)34)8-5-11-27-23(25)26/h3-4,6-7,9-10,16-17,28,32H,5,8,11-13H2,1-2H3,(H2,24,34)(H,29,33)(H,30,35)(H4,25,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.40E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards NPFF receptor was measured by the displacement of [125I]-YLFQPQRF-NH2

J Med Chem 44: 1623-6 (2001)


BindingDB Entry DOI: 10.7270/Q23T9GHR
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50156179
PNG
(3-carbamoyl-1-{4-(2-carbamoyl-pyrrolidin-1-yl)-4-o...)
Show SMILES NC(=O)C1CCCN1C(=O)C(CC[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C20H26N6O5/c21-17(28)12-3-1-8-25(11-12)10-7-14(24-19(30)13-5-6-16(27)23-13)20(31)26-9-2-4-15(26)18(22)29/h1,3,8,11,13-15H,2,4-7,9-10H2,(H5-,21,22,23,24,27,28,29,30)/p+1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain

J Med Chem 47: 6025-33 (2004)


Article DOI: 10.1021/jm020531t
BindingDB Entry DOI: 10.7270/Q2W095F0
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50156181
PNG
(3-carbamoyl-1-{3-(2-carbamoyl-pyrrolidin-1-yl)-3-o...)
Show SMILES NC(=O)C1CCCN1C(=O)C(C[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C19H24N6O5/c20-16(27)11-3-1-7-24(9-11)10-13(23-18(29)12-5-6-15(26)22-12)19(30)25-8-2-4-14(25)17(21)28/h1,3,7,9,12-14H,2,4-6,8,10H2,(H5-,20,21,22,23,26,27,28,29)/p+1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain

J Med Chem 47: 6025-33 (2004)


Article DOI: 10.1021/jm020531t
BindingDB Entry DOI: 10.7270/Q2W095F0
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50156182
PNG
(3-carbamoyl-1-{5-(2-carbamoyl-pyrrolidin-1-yl)-5-o...)
Show SMILES NC(=O)C1CCCN1C(=O)C(CCC[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C21H28N6O5/c22-18(29)13-4-1-9-26(12-13)10-2-5-15(25-20(31)14-7-8-17(28)24-14)21(32)27-11-3-6-16(27)19(23)30/h1,4,9,12,14-16H,2-3,5-8,10-11H2,(H5-,22,23,24,25,28,29,30,31)/p+1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain

J Med Chem 47: 6025-33 (2004)


Article DOI: 10.1021/jm020531t
BindingDB Entry DOI: 10.7270/Q2W095F0
More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50156183
PNG
(3-carbamoyl-1-{6-(2-carbamoyl-pyrrolidin-1-yl)-6-o...)
Show SMILES NC(=O)C1CCCN1C(=O)C(CCCC[n+]1cccc(c1)C(N)=O)NC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C22H30N6O5/c23-19(30)14-5-3-11-27(13-14)10-2-1-6-16(26-21(32)15-8-9-18(29)25-15)22(33)28-12-4-7-17(28)20(24)31/h3,5,11,13,15-17H,1-2,4,6-10,12H2,(H5-,23,24,25,26,29,30,31,32)/p+1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain

J Med Chem 47: 6025-33 (2004)


Article DOI: 10.1021/jm020531t
BindingDB Entry DOI: 10.7270/Q2W095F0
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(RAT)		BDBM50099303
PNG
(2-{[1-(5-Dimethylamino-naphthalene-1-sulfonyl)-pyr...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C28H41N9O6S/c1-36(2)21-10-3-8-18-17(21)7-4-12-23(18)44(42,43)37-16-6-11-22(37)27(41)35-20(13-14-24(29)38)26(40)34-19(25(30)39)9-5-15-33-28(31)32/h3-4,7-8,10,12,19-20,22H,5-6,9,11,13-16H2,1-2H3,(H2,29,38)(H2,30,39)(H,34,40)(H,35,41)(H4,31,32,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.36E+4n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards NPFF receptor was measured by the displacement of [125I]-YLFQPQRF-NH2

J Med Chem 44: 1623-6 (2001)


BindingDB Entry DOI: 10.7270/Q23T9GHR
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))		BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR4

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)		BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR3

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(MOUSE)		BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(MOUSE)		BDBM50272772
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r|
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50272772
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r|
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 0.770n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR5

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(RAT)		BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.860n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(RAT)		BDBM50272772
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r|
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(RAT)		BDBM50059091
PNG
(2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(MOUSE)		BDBM50272772
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r|
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR3

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))		BDBM50272772
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 |r|
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR4

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50059091
PNG
(2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR5

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50059089
PNG
(9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propionylam...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C49H65N11O10S/c1-27(61)40(42(52)63)59-48(69)39-26-71-25-38(57-43(64)33(51)21-29-13-5-3-6-14-29)47(68)55-36(22-30-15-7-4-8-16-30)45(66)56-37(23-31-24-53-34-18-10-9-17-32(31)34)46(67)54-35(19-11-12-20-50)44(65)60-41(28(2)62)49(70)58-39/h3-10,13-18,24,27-28,33,35-41,53,61-62H,11-12,19-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,69)(H,60,65)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR5

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(RAT)		BDBM50059089
PNG
(9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propionylam...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O
Show InChI InChI=1S/C49H65N11O10S/c1-27(61)40(42(52)63)59-48(69)39-26-71-25-38(57-43(64)33(51)21-29-13-5-3-6-14-29)47(68)55-36(22-30-15-7-4-8-16-30)45(66)56-37(23-31-24-53-34-18-10-9-17-32(31)34)46(67)54-35(19-11-12-20-50)44(65)60-41(28(2)62)49(70)58-39/h3-10,13-18,24,27-28,33,35-41,53,61-62H,11-12,19-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,69)(H,60,65)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317833
PNG
(3-methyl 5-(3-phenylbutyl)2,6-dimethyl-4-(3-nitrop...)
Show SMILES COC(=O)C1C(C(C(=O)OCCC(C)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C26H28N2O6/c1-16(19-9-6-5-7-10-19)13-14-34-26(30)23-18(3)27-17(2)22(25(29)33-4)24(23)20-11-8-12-21(15-20)28(31)32/h5-12,15-16,22,24H,13-14H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317821
PNG
(3-(3,4-difluorobenzyl)5-methyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccc(F)c(F)c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:22,t:19|
Show InChI InChI=1S/C23H20F2N2O6/c1-12-19(22(28)32-3)21(15-5-4-6-16(10-15)27(30)31)20(13(2)26-12)23(29)33-11-14-7-8-17(24)18(25)9-14/h4-10,19,21H,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317831
PNG
(3-(4-chlorophenethyl)5-methyl 2,6-dimethyl-4-(3-ni...)
Show SMILES COC(=O)C1C(C(C(=O)OCCc2ccc(Cl)cc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:22,t:19|
Show InChI InChI=1S/C24H23ClN2O6/c1-14-20(23(28)32-3)22(17-5-4-6-19(13-17)27(30)31)21(15(2)26-14)24(29)33-12-11-16-7-9-18(25)10-8-16/h4-10,13,20,22H,11-12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317776
PNG
(CHEMBL1086836 | dimethyl 2,6-dimethyl-4-(2-(methyl...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1SC |c:13,t:10|
Show InChI InChI=1S/C18H21NO4S/c1-10-14(17(20)22-3)16(12-8-6-7-9-13(12)24-5)15(11(2)19-10)18(21)23-4/h6-9,14,16H,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317775
PNG
(CHEMBL1099222 | diethyl 2,6-dimethyl-4-(2-(methylt...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1ccccc1SC |c:15,t:12|
Show InChI InChI=1S/C20H25NO4S/c1-6-24-19(22)16-12(3)21-13(4)17(20(23)25-7-2)18(16)14-10-8-9-11-15(14)26-5/h8-11,16,18H,6-7H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317802
PNG
(3-allyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,...)
Show SMILES COC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:15,t:12|
Show InChI InChI=1S/C19H20N2O6/c1-5-10-27-19(23)16-12(3)20-11(2)15(18(22)26-4)17(16)13-8-6-7-9-14(13)21(24)25/h5-9,15,17H,1,10H2,2-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM15978
PNG
(2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...)
Show SMILES NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of JNK1alpha1 (unknown origin)

Bioorg Med Chem Lett 26: 424-8 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.099
BindingDB Entry DOI: 10.7270/Q24T6M6J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317836
PNG
(3-methyl 5-(3-phenoxypropyl)2,6-dimethyl-4-(3-nitr...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCOc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(18-9-7-10-19(15-18)27(30)31)22(17(2)26-16)25(29)34-14-8-13-33-20-11-5-4-6-12-20/h4-7,9-12,15,21,23H,8,13-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317835
PNG
(3-(2-(benzyloxy)ethyl)5-methyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCCOCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(19-10-7-11-20(14-19)27(30)31)22(17(2)26-16)25(29)34-13-12-33-15-18-8-5-4-6-9-18/h4-11,14,21,23H,12-13,15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317793
PNG
(CHEMBL1094406 | diethyl 2-(chloromethyl)-6-methyl-...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(CCl)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16,t:12|
Show InChI InChI=1S/C19H21ClN2O6/c1-4-27-18(23)15-11(3)21-14(10-20)17(19(24)28-5-2)16(15)12-7-6-8-13(9-12)22(25)26/h6-9,15-16H,4-5,10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317822
PNG
(3-methyl 5-(2,4,6-trichlorobenzyl)2,6-dimethyl-4-(...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2c(Cl)cc(Cl)cc2Cl)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C23H19Cl3N2O6/c1-11-19(22(29)33-3)21(13-5-4-6-15(7-13)28(31)32)20(12(2)27-11)23(30)34-10-16-17(25)8-14(24)9-18(16)26/h4-9,19,21H,10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317840
PNG
(CHEMBL1099188 | diethyl 4-(2,3-difluorophenyl)-2,6...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1cccc(F)c1F |c:15,t:12|
Show InChI InChI=1S/C19H21F2NO4/c1-5-25-18(23)14-10(3)22-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13(20)17(12)21/h7-9,14,16H,5-6H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317817
PNG
(3-cyclohex-2-enyl 5-methyl 2,6-dimethyl-4-(3-nitro...)
Show SMILES COC(=O)C1C(C(C(=O)OC2CCCC=C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:14,19,t:16|
Show InChI InChI=1S/C22H24N2O6/c1-13-18(21(25)29-3)20(15-8-7-9-16(12-15)24(27)28)19(14(2)23-13)22(26)30-17-10-5-4-6-11-17/h5,7-10,12,17-18,20H,4,6,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317832
PNG
(3-methyl 5-(4-phenylbutyl)2,6-dimethyl-4-(3-nitrop...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C26H28N2O6/c1-17-22(25(29)33-3)24(20-13-9-14-21(16-20)28(31)32)23(18(2)27-17)26(30)34-15-8-7-12-19-10-5-4-6-11-19/h4-6,9-11,13-14,16,22,24H,7-8,12,15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317817
PNG
(3-cyclohex-2-enyl 5-methyl 2,6-dimethyl-4-(3-nitro...)
Show SMILES COC(=O)C1C(C(C(=O)OC2CCCC=C2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:14,19,t:16|
Show InChI InChI=1S/C22H24N2O6/c1-13-18(21(25)29-3)20(15-8-7-9-16(12-15)24(27)28)19(14(2)23-13)22(26)30-17-10-5-4-6-11-17/h5,7-10,12,17-18,20H,4,6,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317813
PNG
(3-ethyl 5-(2-(methacryloyloxy)ethyl)2,6-dimethyl-4...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCCOC(=O)C(C)=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21,t:18|
Show InChI InChI=1S/C23H26N2O8/c1-6-31-22(27)18-14(4)24-15(5)19(23(28)33-11-10-32-21(26)13(2)3)20(18)16-8-7-9-17(12-16)25(29)30/h7-9,12,18,20H,2,6,10-11H2,1,3-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317794
PNG
(CHEMBL1094740 | diethyl 2-(acetoxymethyl)-6-methyl...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(COC(C)=O)N=C1C)c1cccc(c1)[N+]([O-])=O |c:19,t:12|
Show InChI InChI=1S/C21H24N2O8/c1-5-29-20(25)17-12(3)22-16(11-31-13(4)24)19(21(26)30-6-2)18(17)14-8-7-9-15(10-14)23(27)28/h7-10,17-18H,5-6,11H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317802
PNG
(3-allyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,...)
Show SMILES COC(=O)C1C(C(C(=O)OCC=C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:15,t:12|
Show InChI InChI=1S/C19H20N2O6/c1-5-10-27-19(23)16-12(3)20-11(2)15(18(22)26-4)17(16)13-8-6-7-9-14(13)21(24)25/h5-9,15,17H,1,10H2,2-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317813
PNG
(3-ethyl 5-(2-(methacryloyloxy)ethyl)2,6-dimethyl-4...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCCOC(=O)C(C)=C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21,t:18|
Show InChI InChI=1S/C23H26N2O8/c1-6-31-22(27)18-14(4)24-15(5)19(23(28)33-11-10-32-21(26)13(2)3)20(18)16-8-7-9-17(12-16)25(29)30/h7-9,12,18,20H,2,6,10-11H2,1,3-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(RAT)		BDBM50059092
PNG
((4S,7R,10S,13R,16S,19R)-10-(4-Amino-butyl)-19-((S)...)
Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C45H57N9O9S2/c1-26(55)38-44(61)53-37(45(62)63)25-65-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31+,33+,34+,35-,36+,37-,38-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50059092
PNG
((4S,7R,10S,13R,16S,19R)-10-(4-Amino-butyl)-19-((S)...)
Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C45H57N9O9S2/c1-26(55)38-44(61)53-37(45(62)63)25-65-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31+,33+,34+,35-,36+,37-,38-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR5

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317833
PNG
(3-methyl 5-(3-phenylbutyl)2,6-dimethyl-4-(3-nitrop...)
Show SMILES COC(=O)C1C(C(C(=O)OCCC(C)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C26H28N2O6/c1-16(19-9-6-5-7-10-19)13-14-34-26(30)23-18(3)27-17(2)22(25(29)33-4)24(23)20-11-8-12-21(15-20)28(31)32/h5-12,15-16,22,24H,13-14H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317836
PNG
(3-methyl 5-(3-phenoxypropyl)2,6-dimethyl-4-(3-nitr...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCOc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(18-9-7-10-19(15-18)27(30)31)22(17(2)26-16)25(29)34-14-8-13-33-20-11-5-4-6-12-20/h4-7,9-12,15,21,23H,8,13-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317835
PNG
(3-(2-(benzyloxy)ethyl)5-methyl 2,6-dimethyl-4-(3-n...)
Show SMILES COC(=O)C1C(C(C(=O)OCCOCc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:23,t:20|
Show InChI InChI=1S/C25H26N2O7/c1-16-21(24(28)32-3)23(19-10-7-11-20(14-19)27(30)31)22(17(2)26-16)25(29)34-13-12-33-15-18-8-5-4-6-9-18/h4-11,14,21,23H,12-13,15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317825
PNG
(3-benzo[d][1,3]dioxol-5-ylmethyl 5-methyl 2,6-dime...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2ccc3OCOc3c2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
Show InChI InChI=1S/C24H22N2O8/c1-13-20(23(27)31-3)22(16-5-4-6-17(10-16)26(29)30)21(14(2)25-13)24(28)32-11-15-7-8-18-19(9-15)34-12-33-18/h4-10,20,22H,11-12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(MOUSE)		BDBM50059091
PNG
(2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50317790
PNG
(3-ethyl 5-methyl 6-(methoxymethyl)-2-methyl-4-(3-n...)
Show SMILES CCOC(=O)C1C(C(C(=O)OC)=C(COC)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16,t:11|
Show InChI InChI=1S/C19H22N2O7/c1-5-28-19(23)15-11(2)20-14(10-26-3)17(18(22)27-4)16(15)12-7-6-8-13(9-12)21(24)25/h6-9,15-16H,5,10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(MOUSE)		BDBM50059092
PNG
((4S,7R,10S,13R,16S,19R)-10-(4-Amino-butyl)-19-((S)...)
Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C45H57N9O9S2/c1-26(55)38-44(61)53-37(45(62)63)25-65-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31+,33+,34+,35-,36+,37-,38-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b

J Med Chem 40: 2241-51 (1997)


Article DOI: 10.1021/jm960850i
BindingDB Entry DOI: 10.7270/Q2125TBX
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)		BDBM50317775
PNG
(CHEMBL1099222 | diethyl 2,6-dimethyl-4-(2-(methylt...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1ccccc1SC |c:15,t:12|
Show InChI InChI=1S/C20H25NO4S/c1-6-24-19(22)16-12(3)21-13(4)17(20(23)25-7-2)18(16)14-10-8-9-11-15(14)26-5/h8-11,16,18H,6-7H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay

Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 290 total )  |  Next  |  Last  >>
Jump to: